SCHEMBL11420115

SCHEMBL11420115

O=C(O)c1cccc(Cc2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.56
PLA2G2A P14555 1/20 0.56
HNF4A P41235 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
KDM4E B2RXH2 1/20 0.54
KLKB1 P03952 1/20 0.53
CTSB P07858 1/20 0.53
MMP9 P14780 1/20 0.53
DNMT1 P26358 1/20 0.53
DNMT3B Q9UBC3 1/20 0.53
DNMT3L Q9UJW3 1/20 0.53
DNMT3A Q9Y6K1 1/20 0.53
LTC4S Q16873 1/20 0.53
CDC25B P30305 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CASP6 P55212 1/20 0.51
RCE1 Q9Y256 1/20 0.51
MYC P01106 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL70351 0.87 FOLH1 (0.70) FOLH1PLA2G2ACA1CA2CA9
SCHEMBL30791058 0.87 FOLH1 (0.70) FOLH1PLA2G2ACA1CA2CA9
SCHEMBL4521510 0.85 HNF4A (0.73) PLA2G2AHNF4AKLKB1CTSBMMP9
SCHEMBL21621 0.85 KLKB1 (0.69) HNF4AKDM4EKLKB1CTSBMMP9
SCHEMBL29365057 0.85 KLKB1 (0.69) HNF4AKDM4EKLKB1CTSBMMP9
SCHEMBL6866417 0.84 KLKB1 (0.58) FOLH1PLA2G2AHNF4ACA1CA2
SCHEMBL1296450 0.84 CA1 (0.63) FOLH1PLA2G2AHNF4ACA1CA2
SCHEMBL1926951 0.83 FOLH1 (0.66) FOLH1PLA2G2AHNF4ACA1CA2
SCHEMBL2117125 0.83 KLKB1 (0.67) HNF4AKDM4EKLKB1CTSBMMP9
SCHEMBL5553313 0.83 KLKB1 (0.67) HNF4AKDM4EKLKB1CTSBMMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4183835-A Salts of a basic nitrogenous compound as stabilizers for neutralized polyamide-acid resin NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-01-15 US claimed
US-4183835-A Salts of a basic nitrogenous compound as stabilizers for neutralized polyamide-acid resin NITTO ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-01-15 US disclosed